SCHEMBL1596532

SCHEMBL1596532

SCc1ncc2c(n1)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 7/20 0.42
CDK5R1 Q15078 7/20 0.42
HTR2C P28335 11/20 0.41
HTR2B P41595 9/20 0.41
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
GRM5 P41594 2/20 0.41
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR3A P46098 1/20 0.40
HTR6 P50406 1/20 0.40
MAOB P27338 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31128506 0.81 CDK5 (0.47) CDK5CDK5R1HTR2CHTR2BCCNA2
SCHEMBL12356425 0.81 CDK5 (0.42) CDK5CDK5R1HTR2CHTR2BCCNA2
SCHEMBL12356426 0.81 CDK5 (0.42) CDK5CDK5R1HTR2CHTR2BCCNA2
SCHEMBL10272062 0.81 CDK5 (0.47) CDK5CDK5R1HTR2CHTR2BCCNA2
SCHEMBL24197819 0.79 CDK5 (0.46) CDK5CDK5R1HTR2CHTR2BCCNA2
SCHEMBL12826117 0.79 CDK5 (0.46) CDK5CDK5R1HTR2CHTR2BCCNA2
SCHEMBL4595953 0.77 HTR2C (0.41) CDK5CDK5R1HTR2CHTR2BCCNA2
SCHEMBL10272451 0.77 CDK5 (0.43) CDK5CDK5R1HTR2CHTR2BCCNA2
SCHEMBL29564444 0.74 CDK5 (0.46) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL10013082 0.74 CDK5 (0.46) CDK5CDK5R1CCNA2CDK2GRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP disclosed
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 US disclosed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP disclosed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 CDK5 2144/4885CDK5R1 2306/4885HTR2C 3859/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.